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[ CAS No. 267006-24-6 ] {[proInfo.proName]}

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Chemical Structure| 267006-24-6
Chemical Structure| 267006-24-6
Structure of 267006-24-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 267006-24-6 ]

CAS No. :267006-24-6 MDL No. :MFCD06659938
Formula : C6H4BF4K Boiling Point : -
Linear Structure Formula :K[C6H4FBF3] InChI Key :LOPFKHUYBDOHRD-UHFFFAOYSA-N
M.W : 202.00 Pubchem ID :23697350
Synonyms :

Calculated chemistry of [ 267006-24-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.11
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.54
Log Po/w (WLOGP) : 3.56
Log Po/w (MLOGP) : 3.21
Log Po/w (SILICOS-IT) : 1.72
Consensus Log Po/w : 2.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.63
Solubility : 0.0477 mg/ml ; 0.000236 mol/l
Class : Soluble
Log S (Ali) : -3.22
Solubility : 0.12 mg/ml ; 0.000596 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.55
Solubility : 0.0571 mg/ml ; 0.000282 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.05

Safety of [ 267006-24-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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